5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine

C34H24N6 — CID 59344179

IUPAC5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine
SMILESc1cc2c(cn1)Cc1cnccc1N2c1ccc(-c2ccc(N3c4ccncc4Cc4cnccc43)cc2)cc1
InChIInChI=1S/C34H24N6/c1-5-29(39-31-9-13-35-19-25(31)17-26-20-36-14-10-32(26)39)6-2-23(1)24-3-7-30(8-4-24)40-33-11-15-37-21-27(33)18-28-22-38-16-12-34(28)40/h1-16,19-22H,17-18H2
InChIKeyPYTWCZKPGDRGEQ-UHFFFAOYSA-N
MW516.61 g/mol
LogP7.68
Rot. Bonds3

About 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine

5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine (PubChem CID 59344179) has the molecular formula C34H24N6 and a molecular weight of 516.61 g/mol. Its IUPAC name is 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine.

Molecular Properties

Compound Name5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine
PubChem CID59344179
Molecular FormulaC34H24N6
Molecular Weight516.61 g/mol
Exact Mass516.21
IUPAC Name5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine
SMILESc1cc2c(cn1)Cc1cnccc1N2c1ccc(-c2ccc(N3c4ccncc4Cc4cnccc43)cc2)cc1
InChIInChI=1S/C34H24N6/c1-5-29(39-31-9-13-35-19-25(31)17-26-20-36-14-10-32(26)39)6-2-23(1)24-3-7-30(8-4-24)40-33-11-15-37-21-27(33)18-28-22-38-16-12-34(28)40/h1-16,19-22H,17-18H2
InChIKeyPYTWCZKPGDRGEQ-UHFFFAOYSA-N
XLogP7.68
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine?
The IUPAC name of 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine (CID 59344179) is 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine.
What is the SMILES notation for 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine?
The canonical SMILES for 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine is c1cc2c(cn1)Cc1cnccc1N2c1ccc(-c2ccc(N3c4ccncc4Cc4cnccc43)cc2)cc1.
What is the InChIKey of 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine?
The InChIKey is PYTWCZKPGDRGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N6/c1-5-29(39-31-9-13-35-19-25(31)17-26-20-36-14-10-32(26)39)6-2-23(1)24-3-7-30(8-4-24)40-33-11-15-37-21-27(33)18-28-22-38-16-12-34(28)40/h1-16,19-22H,17-18H2.
What are the key properties of 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine?
5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine has a molecular weight of 516.61 g/mol, XLogP of 7.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine is sourced from PubChem (CID 59344179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).